2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-4-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-(4-benzylpiperidino)-2-keto-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

InChI

InChI=1S/C28H28N4O2/c33-27(31-15-12-22(13-16-31)17-21-7-2-1-3-8-21)20-32-28(34)25-11-5-4-10-24(25)26(30-32)18-23-9-6-14-29-19-23/h1-11,14,19,22H,12-13,15-18,20H2